ABINIT/m_exc_spectra [ Modules ]

Routines to compute the macroscopic dielectric function in the Bethe-Salpeter code.

COPYRIGHT

Copyright (C) 2009-2018 ABINIT and EXC groups (L.Reining, V.Olevano, F.Sottile, S.Albrecht, G.Onida, M.Giantomassi, Y. Gillet)
This file is distributed under the terms of the
GNU General Public License, see ~abinit/COPYING
or http://www.gnu.org/copyleft/gpl.txt .

m_exc_spectra/exc_eps_coupling [ Functions ]

Bsp
nkbz=Number of points in the BZ
lomo_min,max_band
nomega=Number of frequencies
omega(nomega)=frequency mesh.
nsppol=Number of independent spin polarizations.
ucvol=Unit cell volume.
BS_files<excfiles>File names used in the Bethe-Salpeter code.
opt_cvk(lomo_min:max_band,lomo_min:max_band,nkbz,nsppol)=Matrix elements <b k|e^{-iqr}|b" k> for a given q in the full BZ.

OUTPUT

eps_exc(nomega)=Macroscopic dielectric function with excitonic effects calculated including the COUPLING.
dos_exc(nomega)=The DOS of the excitonic Hamiltonian

m_exc_spectra/exc_eps_resonant [ Functions ]

This routine builds the macroscopic dielectric function with excitonic effects.

INPUTS

Bsp
lomo_min,max_band
nkbz=Number of points in the BZ
nsppol=Number of independent polarizations.
nomega=Number of frequencies
omega(nomega)=frequency mesh (complex shift is already included)
ucvol=Volume of the unit cell.
opt_cvk(lomo_min:max_band,mib:max_band,nkbz,nsppol,Bsp%nq)=Matrix elements <b k|e^{-iqr}|b" k> for a given q in the full BZ.

m_exc_spectra/exc_eps_rpa [ Functions ]

nkbz=Number of points in the BZ
nbnds=Number of bands
lomo_spin(nsppol)
lomo_min=Lowest occupied state
homo=Number of occupied states.
homo_spin(nsppol)
nsppol=Number of independent spin polarizations.
nomega=Number of frequencies
omega(nomega)=Frequency mesh.
ucvol=Unit cell volume.
broad=Broadening used for the DOS.
opt_cvk(nbnds,nbnds,nkbz)=Matrix elements <b k|e^{-iqr}|b" k> for a given q in the full BZ.